0FO

6-bromo-4-hydroxy-2H-chromen-2-one

Created:	2012-01-04
Last modified:	2012-01-04

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1 entries where 0FO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 0FO

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Chemical Component Summary
Name	6-bromo-4-hydroxy-2H-chromen-2-one
Systematic Name (OpenEye OEToolkits)	6-bromanyl-4-oxidanyl-chromen-2-one
Formula	C₉ H₅ Br O₃
Molecular Weight	241.038
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc2ccc1OC(=O)C=C(O)c1c2
SMILES	CACTVS	3.370	OC1=CC(=O)Oc2ccc(Br)cc12
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Br)C(=CC(=O)O2)O
Canonical SMILES	CACTVS	3.370	OC1=CC(=O)Oc2ccc(Br)cc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1Br)C(=CC(=O)O2)O
InChI	InChI	1.03	InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey	InChI	1.03	KNMCTCABMSGXGR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	54691404
ChEMBL	CHEMBL2032372

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